SCHEMBL30568087

SCHEMBL30568087

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c(C#N)cccc1[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.39
▸ TSHR P16473 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NOTCH1 P46531 1/20 0.36
▸ NAMPT P43490 3/20 0.36
▸ RET P07949 3/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ ATM Q13315 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21941112 0.88 TSHR (0.38) GPR119TSHRALOX15NAMPTATM
SCHEMBL29506188 0.88 TSHR (0.38) GPR119TSHRALOX15NAMPTATM
SCHEMBL29506184 0.88 TSHR (0.38) GPR119TSHRALOX15NAMPTATM
SCHEMBL29832328 0.88 TSHR (0.38) GPR119TSHRALOX15NAMPTATM
SCHEMBL21940374 0.88 TSHR (0.38) GPR119TSHRALOX15NAMPTATM
SCHEMBL24282593 0.88 GPR119 (0.39) GPR119TSHRALOX15NOTCH1NAMPT
SCHEMBL29550726 0.88 GPR119 (0.39) GPR119TSHRALOX15NOTCH1NAMPT
SCHEMBL29551015 0.88 GPR119 (0.39) GPR119TSHRALOX15NOTCH1NAMPT
SCHEMBL23046171 0.88 GPR119 (0.39) GPR119TSHRALOX15NOTCH1NAMPT
SCHEMBL24635800 0.87 GPR119 (0.39) GPR119TSHRALOX15NAMPTATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359642-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-07-19 — — CN disclosed
CN-111566104-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-05-17 — — CN disclosed
CN-117143079-A Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2023-12-01 — — CN disclosed
CN-111138412-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2023-09-15 — — CN disclosed
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